Stability and Bonding in Metal, Carbon, and Semiconductor Clusters

金属、碳和半导体簇的稳定性和键合

• 批准号: 9117752
• 负责人: Karl Gingerich
• 金额: $ 18.6万
• 依托单位: Texas A&M Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-01-01 至 1995-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9117752&HistoricalAwards=false
• 关键词: Stability; Bonding; Metal; Carbon; Semiconductor

Professor Gingerich is supported by a grant from the Theoretical and Computational Chemistry Program to study the thermodynamic stabilities of metal, carbon, and semiconductor clusters. Thermodynamic properties of small inorganic clusters will be determined from high temperature equilibrium measurements with a Knudsen effusion cell mass spectrometer. Systems studied will include diatomic transition metals, carbides and nitrides, and clusters of metals, carbon, silicon, germanium and inter-group IV compounds. Bond energies and enthalpies of formation will be derived from the measured reaction enthalpies. For selected molecules the equilibrium measurements will be complemented by theoretical calculations and matrix isolation spectroscopic investigations in order to elucidate the molecular structure and nature of bonding. %%% The proposed investigations will provide much needed fundamental knowledge for refractory materials of applied interest. It is expected that the results obtained from this research will aid the finding of new materials with improved technological properties.

金格里奇教授得到了 理论和计算化学计划，研究 金属、碳和半导体的热力学稳定性 集群 无机小团簇的热力学性质 将由高温平衡确定 使用Knudsen泻流池质谱仪进行测量。 研究的系统将包括双原子过渡金属， 碳化物和氮化物，以及金属，碳，硅， 锗和IV族间化合物。 键能和 将从所测量的 反应神经病 对于选定的分子， 理论计算将作为测量的补充 和基质分离光谱研究， 阐明分子结构和键合的性质。 %%% 拟议的调查将提供急需的 耐火材料应用基础知识 兴趣 预计由此获得的结果 研究将有助于发现新材料， 技术特性。